2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine

C14H32N2O — CID 79574686

IUPAC2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine
SMILESCCCOCC(NCC)C(C)(C)N(CC)CC
InChIInChI=1S/C14H32N2O/c1-7-11-17-12-13(15-8-2)14(5,6)16(9-3)10-4/h13,15H,7-12H2,1-6H3
InChIKeyNCLQBCFLZBBYKO-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.51
Rot. Bonds10

About 2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine

2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine (PubChem CID 79574686) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine
PubChem CID79574686
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine
SMILESCCCOCC(NCC)C(C)(C)N(CC)CC
InChIInChI=1S/C14H32N2O/c1-7-11-17-12-13(15-8-2)14(5,6)16(9-3)10-4/h13,15H,7-12H2,1-6H3
InChIKeyNCLQBCFLZBBYKO-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(diethylamino)-3-methyl-1-propoxybutan-2-ol
CID 79567595
N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine
CID 79574688
1-(3,3-dimethylbutoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 66234263
3-(diethylamino)-3-methyl-1-propoxypentan-2-ol
CID 79567055
2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine
CID 79445200
N,3,3-trimethyl-1-propoxypentan-2-amine
CID 105008333
N-ethyl-3,3-dimethyl-1-(4,4,4-trifluorobutoxy)butan-2-amine
CID 82788368
N-ethyl-1-propoxytridecan-2-amine
CID 105008579
N-ethyl-1,1-difluoro-3-propoxypropan-2-amine
CID 103759797
N-[1-(2-methylpropoxy)-3-propoxypropan-2-yl]formamide;2,3,3-trimethylbutan-2-amine
CID 167491163
1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine
CID 102619050
3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol
CID 79567325

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine?
The IUPAC name of 2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine (CID 79574686) is 2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine.
What is the SMILES notation for 2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine?
The canonical SMILES for 2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine is CCCOCC(NCC)C(C)(C)N(CC)CC.
What is the InChIKey of 2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine?
The InChIKey is NCLQBCFLZBBYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-11-17-12-13(15-8-2)14(5,6)16(9-3)10-4/h13,15H,7-12H2,1-6H3.
What are the key properties of 2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine?
2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine is sourced from PubChem (CID 79574686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).